(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CS2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CS2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H24N4OS/c29-24(19-7-4-11-28(15-19)16-23-25-10-12-30-23)26-20-8-3-6-17(13-20)22-14-18-5-1-2-9-21(18)27-22/h1-3,5-6,8-10,12-14,19,27H,4,7,11,15-16H2,(H,26,29)/p+1/t19-/m0/s1